Information card for entry 4076868

Structure parameters

• Formula: C36.7 H33 F6 Mo O P3
• Calculated formula: C36.7 H33 F6 Mo O P3
• Title of publication: Synthesis, Reactivity, and Theoretical Studies of the η2(4e)-Bonded Phosphaalkyne Complex [CpMo{P(OMe)3}2{η2(4e)-P⋮CBut}][B(C6F5)4] and the Molybdenum-Mediated Cyclocotrimerization of Alkyne and Phosphaalkyne Ligands
• Authors of publication: Burrows, Andrew D.; Carr, Nicholas; Green, Michael; Lynam, Jason M.; Mahon, Mary F.; Murray, Martin; Kiran, Boggavarapu; Nguyen, Minh T.; Jones, Cameron
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 3076
• a: 13.526 ± 0.003 Å
• b: 11.326 ± 0.003 Å
• c: 23.276 ± 0.005 Å
• α: 90°
• β: 104.41 ± 0.02°
• γ: 90°
• Cell volume: 3453.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No